SCHEMBL21991828

SCHEMBL21991828

COC(=O)CC(C)(C)Oc1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.46
ALDH1A1 P00352 1/20 0.44
PPARA Q07869 6/20 0.43
PPARD Q03181 6/20 0.43
PPARG P37231 2/20 0.42
MAOB P27338 1/20 0.41
MDH1 P40925 1/20 0.41
MDH2 P40926 1/20 0.41
EPHX2 P34913 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
KIF11 P52732 1/20 0.41
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
AKR1C3 P42330 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21991862 0.96 MAPK14 (0.44) TRPV1ALDH1A1PPARAPPARDPPARG
SCHEMBL21991835 0.89 MAOB (0.59) PPARAPPARDPPARGMAOB
SCHEMBL21992549 0.85 POLB (0.48) TRPV1PPARAPPARDPPARGMAOB
SCHEMBL21991498 0.84 KMT2A (0.41) ALDH1A1PPARALMNAHTT
SCHEMBL21992551 0.84 PPARA (0.47) TRPV1ALDH1A1PPARAPPARDPPARG
SCHEMBL21992547 0.84 TRPV1 (0.43) TRPV1ALDH1A1PPARAPPARDPPARG
SCHEMBL21991504 0.83 ALDH1A1 (0.46) ALDH1A1LMNAHTT
SCHEMBL23605972 0.82 MAPT (0.42) ALDH1A1PPARAPPARDLMNAHTT
SCHEMBL21906426 0.82 KMT2A (0.46) ALDH1A1PPARAPPARGLMNAHTT
SCHEMBL21992629 0.81 POLB (0.45) PPARAPPARDPPARGMAOB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220409566-A1 CCL5 Inhibitors LAPKO INC, dba AFECTA PHARMACEUTICALS 2022-12-29 US disclosed
US-20220142961-A1 CCL5 Inhibitors LAPKO INC, dba AFECTA PHARMACEUTICALS 2022-05-12 US disclosed
US-11318111-B2 CCL5 inhibitors LAPKO INC (US) 2022-05-03 US disclosed
US-20210196665-A1 CCL5 Inhibitors AFECTA PHARMACEUTICALS, INC. (US) 2021-07-01 US disclosed
US-10940132-B2 CCL5 inhibitors AFECTA PHARMACEUTICALS, INC. (US) 2021-03-09 US disclosed
US-20200138766-A1 CCL5 INHIBITORS LAPKO INC. DBA AFECTA PHARMACEUTICALS 2020-05-07 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220142961-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 TRPV1 1213/4885ALDH1A1 932/4885PPARA 806/4885
US-20200138766-A1 CCL5 INHIBITORS CCL5, CCL11, CCR5 TRPV1 1213/4885ALDH1A1 932/4885PPARA 806/4885
US-20210196665-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 TRPV1 1213/4885ALDH1A1 932/4885PPARA 806/4885
US-10940132-B2 CCL5 inhibitors CCL5, CCL11, CCR5 TRPV1 1213/4885ALDH1A1 932/4885PPARA 806/4885
US-11318111-B2 CCL5 inhibitors CCL5, CCL11, CCR5 TRPV1 1213/4885ALDH1A1 932/4885PPARA 806/4885
US-20220409566-A1 CCL5 Inhibitors CCL5, CCL11, CCR5 TRPV1 1213/4885ALDH1A1 932/4885PPARA 806/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.